Citronellyl chloride

HCID 9815366

Notes Reactions

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Basic information

CAS: 62812-91-3
Standard SMILES: CC(C)=CCCC(C)CCCl
InChIKey: UIWKMHMNAFDHQF-UHFFFAOYSA-N
Molecular formula: C10H19Cl
Average molar mass: 174.71 g/mol
Monoisotopic mass: 174.1175283

Names & identifiers

Preferred name: Citronellyl chloride
IUPAC: 8-chloro-2,6-dimethyloct-2-ene
English name: 8-Chloro-2,6-dimethyl-2-octene
Molecular formula: C10H19Cl
Molecular weight: 174.71

Names & synonyms

citronellyl chloride62812-91-3DTXSID60431134RefChem:334250DTXCID403819668-chloro-2,6-dimethyloct-2-ene8-CHLORO-2,6-DIMETHYL-2-OCTENESCHEMBL4476279AKOS006286151DB-3074502-Octene, 8-chloro-2,6-dimethyl-

Database identifiers

CAS: 62812-91-3
PubChem CID: 9815366
DTXSID: DTXSID60431134
Nikkaji: J3.753.245B

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 112

Physicochemical properties

Boiling point: 98 °C · 98 °C
Density: 0.8985 g/cm3 · 0.8985 g/cm3

Chemistry & industry

Suppliers1 total

Alfa Chemistry+1-5166625404 · [email protected]

Related reactions

4 records

New reaction record

HRID 175677As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 811018As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1415305As reactantuspto-grants-1977_01

HRID 2142055As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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